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CHEBI:233435 - 5alpha-pregnan-diol disulfate

ChEBI IDCHEBI:233435
ChEBI Name5alpha-pregnan-diol disulfate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H36O8S2
Net Charge0
Average Mass480.645
Monoisotopic Mass480.18516
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])C(C)OS(=O)(=O)O)[C@@]1(C)CCC(OS(=O)(=O)O)C2
InChIInChI=1S/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/t13?,14-,15?,16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyLSQGWMYMIHQKSA-NPFUJVEOSA-N
ChEBI Ontology
Outgoing Relation(s)
5alpha-pregnan-diol disulfate (CHEBI:233435) is a steroid sulfate (CHEBI:16158)